9-(6-methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

C17H22N6O2 — CID 97450973

IUPAC9-(6-methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCOc1cc(N2CCC3(CC2)CN(c2ncccn2)CCO3)ncn1
InChIInChI=1S/C17H22N6O2/c1-24-15-11-14(20-13-21-15)22-7-3-17(4-8-22)12-23(9-10-25-17)16-18-5-2-6-19-16/h2,5-6,11,13H,3-4,7-10,12H2,1H3
InChIKeyFBPKYNKEMXSYKM-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.15
Rot. Bonds3

About 9-(6-methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

9-(6-methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97450973) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 9-(6-methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(6-methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97450973
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name9-(6-methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCOc1cc(N2CCC3(CC2)CN(c2ncccn2)CCO3)ncn1
InChIInChI=1S/C17H22N6O2/c1-24-15-11-14(20-13-21-15)22-7-3-17(4-8-22)12-23(9-10-25-17)16-18-5-2-6-19-16/h2,5-6,11,13H,3-4,7-10,12H2,1H3
InChIKeyFBPKYNKEMXSYKM-UHFFFAOYSA-N
XLogP1.15
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-N-(4-methoxypyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 137649905
1-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 53593213
4-Methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 84590088
4-[7-(6-Methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine
CID 97451181
9-(6-Methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471375
8-(6-Methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 118738728
8-(6-Methoxypyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
CID 118745535
(2R*,6S*)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 50954831
2-[4-[[(4-Methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol
CID 56778037
4-(5-Fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372295
7-(5-Fluoropyrimidin-2-yl)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 134080133
5-Fluoro-4-methoxy-2-[4-(pyrimidin-2-yloxy)piperidin-1-yl]pyrimidine
CID 135111998

Frequently Asked Questions

What is the IUPAC name of 9-(6-methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(6-methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97450973) is 9-(6-methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(6-methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(6-methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is COc1cc(N2CCC3(CC2)CN(c2ncccn2)CCO3)ncn1.
What is the InChIKey of 9-(6-methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is FBPKYNKEMXSYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-24-15-11-14(20-13-21-15)22-7-3-17(4-8-22)12-23(9-10-25-17)16-18-5-2-6-19-16/h2,5-6,11,13H,3-4,7-10,12H2,1H3.
What are the key properties of 9-(6-methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
9-(6-methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 342.40 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97450973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).